2-(3-fluoropropoxy)ethylbenzene

C11H15FO — CID 177433926

IUPAC2-(3-fluoropropoxy)ethylbenzene
SMILESFCCCOCCc1ccccc1
InChIInChI=1S/C11H15FO/c12-8-4-9-13-10-7-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2
InChIKeyFPQMWRCLMZJWSB-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.61
Rot. Bonds6

About 2-(3-fluoropropoxy)ethylbenzene

2-(3-fluoropropoxy)ethylbenzene (PubChem CID 177433926) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is 2-(3-fluoropropoxy)ethylbenzene.

Molecular Properties

Compound Name2-(3-fluoropropoxy)ethylbenzene
PubChem CID177433926
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name2-(3-fluoropropoxy)ethylbenzene
SMILESFCCCOCCc1ccccc1
InChIInChI=1S/C11H15FO/c12-8-4-9-13-10-7-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2
InChIKeyFPQMWRCLMZJWSB-UHFFFAOYSA-N
XLogP2.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-pentoxyethylbenzene
CID 3022447
8-(8-phenyloctoxy)octylbenzene
CID 56628536
2-(2-phenylethoxymethoxy)ethylbenzene
CID 14767491
2-[2-[2-[2-(3-phenylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 138496429
2-(2-methoxyethoxy)ethylbenzene
CID 21135488
2-(butoxymethoxy)ethylbenzene
CID 14640423
5-(2-phenylethoxy)pentanethioamide
CID 114996568
2-fluoroethylbenzene;hydrate
CID 174885583
bis[2-[2-(2-phenylethoxy)ethoxy]ethyl] hexanedioate
CID 69172633
4-octadecoxybutylbenzene
CID 70977182
10-butoxydecylbenzene
CID 151496754
14-propoxytetradecylbenzene
CID 126562833

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropoxy)ethylbenzene?
The IUPAC name of 2-(3-fluoropropoxy)ethylbenzene (CID 177433926) is 2-(3-fluoropropoxy)ethylbenzene.
What is the SMILES notation for 2-(3-fluoropropoxy)ethylbenzene?
The canonical SMILES for 2-(3-fluoropropoxy)ethylbenzene is FCCCOCCc1ccccc1.
What is the InChIKey of 2-(3-fluoropropoxy)ethylbenzene?
The InChIKey is FPQMWRCLMZJWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO/c12-8-4-9-13-10-7-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2.
What are the key properties of 2-(3-fluoropropoxy)ethylbenzene?
2-(3-fluoropropoxy)ethylbenzene has a molecular weight of 182.24 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropoxy)ethylbenzene is sourced from PubChem (CID 177433926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).